Found 1 result

Search term: KPTPSLHFVHXOBZ-BIKCPUHGSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | xylotetraose | C20H34O17

xylotetraose

  • Molecular FormulaC20H34O17
  • Average mass546.474 Da
  • Monoisotopic mass546.179626 Da
  • ChemSpider ID8406301

  • defined stereocentres - 15 of 16 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,3R,4S,5R)-2-{[(3R,4R,5R,6S)-6-{[(3R,4R,5R,6S)-4,5-dihydroxy-6-{[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxyoxan-3-yl]oxy}oxane-3,4,5-triol
22416-58-6 [RN]
D-Xylopyranose, O-β-D-xylopyranosyl-(1->4)-O-β-D-xylopyranosyl-(1->4)-O-β-D-xylopyranosyl-(1->4)- [ACD/Index Name]
xylotetraose
β-D-Xylopyranosyl-(1->4)-β-D-xylopyranosyl-(1->4)-β-D-xylopyranosyl-(1->4)-D-xylopyranose [ACD/IUPAC Name]
β-D-Xylopyranosyl-(1->4)-β-D-xylopyranosyl-(1->4)-β-D-xylopyranosyl-(1->4)-D-xylopyranose [German] [ACD/IUPAC Name]
β-D-Xylopyranosyl-(1->4)-β-D-xylopyranosyl-(1->4)-β-D-xylopyranosyl-(1->4)-D-xylopyranose [French] [ACD/IUPAC Name]
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
?-D-Xyl-(1->4)-?-D-Xyl-(1->4)-?-D-Xyl-(1->4)-D-Xyl
?-D-Xylopyranosyl-(1->4)-?-D-xylopyranosyl-(1->4)-?-D-xylopyranosyl-(1->4)-D-xylopyranose
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

139307-05-4; 139307-11-2 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 872.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.1±6.0 kJ/mol
Flash Point: 481.6±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 113.7±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -2.77
ACD/LogD (pH 5.5): -3.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 267 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 109.0±5.0 dyne/cm
Molar Volume: 307.4±5.0 cm3

Click to predict properties on the Chemicalize site


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